def test_populations(verbose=True, *args, **kwargs):
""" Test that vib and rovib populations are calculated correctly """
from radis.lbl import SpectrumFactory
from radis.misc.basics import all_in
export = ["vib", "rovib"]
sf = SpectrumFactory(
2000,
2300,
export_populations=export,
db_use_cached=True,
cutoff=1e-25,
isotope="1",
)
sf.warnings.update({
"MissingSelfBroadeningWarning": "ignore",
"VoigtBroadeningWarning": "ignore"
})
sf.load_databank("HITRAN-CO-TEST")
s = sf.non_eq_spectrum(2000, 2000)
pops = sf.get_populations(export)
if not all_in(["rovib", "vib"], list(pops["CO"][1]["X"].keys())):
raise AssertionError(
"vib and rovib levels should be defined after non_eq_spectrum calculation!"
)
if not "nvib" in list(pops["CO"][1]["X"]["vib"].keys()):
raise AssertionError(
"Vib populations should be defined after non_eq_spectrum calculation!"
)
s = sf.eq_spectrum(300)
pops = sf.get_populations(export)
if "nvib" in list(pops["CO"][1]["X"]["vib"].keys()):
raise AssertionError(
"Vib levels should not be defined anymore after eq_spectrum calculation!"
)
# Any of these is True and something went wrong
s = sf.non_eq_spectrum(2000, 2000)
s2 = sf.non_eq_spectrum(300, 300)
# printm(all(s2.get_vib_levels(isotope=1) == s.get_vib_levels(isotope=1)))
assert not (s2.get_vib_levels() is s.get_vib_levels())
assert not (s2.get_rovib_levels() == s.get_rovib_levels()).all().all()
assert not (s2.get_rovib_levels() is s.get_rovib_levels())
return True # if no AssertionError
def test_populations(verbose=True, *args, **kwargs):
''' Test that vib and rovib populations are calculated correctly '''
from radis.lbl import SpectrumFactory
from radis.misc.basics import all_in
export = ['vib', 'rovib']
sf = SpectrumFactory(2000,
2300,
export_populations=export,
db_use_cached=True,
cutoff=1e-25,
isotope='1')
sf.warnings.update({
'MissingSelfBroadeningWarning': 'ignore',
'VoigtBroadeningWarning': 'ignore'
})
sf.load_databank('HITRAN-CO-TEST')
s = sf.non_eq_spectrum(2000, 2000)
pops = sf.get_populations(export)
if not all_in(['rovib', 'vib'], list(pops['CO'][1]['X'].keys())):
raise AssertionError(
'vib and rovib levels should be defined after non_eq_spectrum calculation!'
)
if not 'nvib' in list(pops['CO'][1]['X']['vib'].keys()):
raise AssertionError(
'Vib populations should be defined after non_eq_spectrum calculation!'
)
s = sf.eq_spectrum(300)
pops = sf.get_populations(export)
if 'nvib' in list(pops['CO'][1]['X']['vib'].keys()):
raise AssertionError(
'Vib levels should not be defined anymore after eq_spectrum calculation!'
)
# Any of these is True and something went wrong
s = sf.non_eq_spectrum(2000, 2000)
s2 = sf.non_eq_spectrum(300, 300)
#printm(all(s2.get_vib_levels(isotope=1) == s.get_vib_levels(isotope=1)))
assert not (s2.get_vib_levels() is s.get_vib_levels())
assert not (s2.get_rovib_levels() == s.get_rovib_levels()).all().all()
assert not (s2.get_rovib_levels() is s.get_rovib_levels())
return True # if no AssertionError
